2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid

C11H22O3 — CID 141336269

IUPAC2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid
SMILESCOCC(C(=O)O)(C(C)C)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-8(2)11(7-14-6,9(12)13)10(3,4)5/h8H,7H2,1-6H3,(H,12,13)
InChIKeyLALDSJTWDLVBND-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.41
Rot. Bonds4

About 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid

2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid (PubChem CID 141336269) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid
PubChem CID141336269
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid
SMILESCOCC(C(=O)O)(C(C)C)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-8(2)11(7-14-6,9(12)13)10(3,4)5/h8H,7H2,1-6H3,(H,12,13)
InChIKeyLALDSJTWDLVBND-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-2-(methoxymethyl)propanedioic acid
CID 56990519
2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
CID 22399558
2-tert-butyl-2,3-bis(2,2-dimethylpropyl)-3-propan-2-ylbutanedioic acid
CID 87291822
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
2-tert-butyl-3-methyl-2-propylbutanedioic acid
CID 88879853
2-[[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-(2-carboxy-3-methoxy-2-methylpropyl)peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxymethyl]-3-methoxy-2-methylpropanoic acid
CID 58114775
4-methoxy-2,2,3-trimethylbutanoic acid
CID 79426196
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910298
3-methoxy-2-methyl-2-[pentyl(propan-2-yl)amino]propanoic acid
CID 115002602
2-butyl-2-tert-butyl-3-methylbutanedioic acid
CID 22666972
tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate
CID 23297145

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid (CID 141336269) is 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid is COCC(C(=O)O)(C(C)C)C(C)(C)C.
What is the InChIKey of 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid?
The InChIKey is LALDSJTWDLVBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)11(7-14-6,9(12)13)10(3,4)5/h8H,7H2,1-6H3,(H,12,13).
What are the key properties of 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid?
2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 141336269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).